4-[4-(furan-2-yl)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one

C17H12N4O3 — CID 91664428

IUPAC4-[4-(furan-2-yl)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one
SMILESO=c1nc(Nc2ccc(-c3ccco3)cc2)c2cccnc2n1O
InChIInChI=1S/C17H12N4O3/c22-17-20-15(13-3-1-9-18-16(13)21(17)23)19-12-7-5-11(6-8-12)14-4-2-10-24-14/h1-10,23H,(H,19,20,22)
InChIKeyWAWJLZSDOMKHFM-UHFFFAOYSA-N
MW320.31 g/mol
LogP3.03
Rot. Bonds3

About 4-[4-(furan-2-yl)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one

4-[4-(furan-2-yl)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one (PubChem CID 91664428) has the molecular formula C17H12N4O3 and a molecular weight of 320.31 g/mol. Its IUPAC name is 4-[4-(furan-2-yl)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-[4-(furan-2-yl)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one
PubChem CID91664428
Molecular FormulaC17H12N4O3
Molecular Weight320.31 g/mol
Exact Mass320.09
IUPAC Name4-[4-(furan-2-yl)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one
SMILESO=c1nc(Nc2ccc(-c3ccco3)cc2)c2cccnc2n1O
InChIInChI=1S/C17H12N4O3/c22-17-20-15(13-3-1-9-18-16(13)21(17)23)19-12-7-5-11(6-8-12)14-4-2-10-24-14/h1-10,23H,(H,19,20,22)
InChIKeyWAWJLZSDOMKHFM-UHFFFAOYSA-N
XLogP3.03
TPSA93.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-hydroxy-4-[4-[4-(trifluoromethyl)phenyl]anilino]pyrido[2,3-d]pyrimidin-2-one
CID 154326729
1-hydroxy-4-(4-thiophen-2-ylanilino)pyrido[2,3-d]pyrimidin-2-one
CID 91664430
4-[4-(dimethylamino)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one
CID 154079085
4-[3-[(1-hydroxy-2-oxopyrido[2,3-d]pyrimidin-4-yl)amino]phenyl]benzonitrile
CID 67253258
1-hydroxy-4-[3-(5-methoxy-3-pyridinyl)anilino]pyrido[2,3-d]pyrimidin-2-one
CID 154344900
4-[3-[(1-hydroxy-2-oxopyrido[2,3-d]pyrimidin-4-yl)amino]phenyl]-N-methylbenzamide
CID 53258699
1-hydroxy-4-[3-[3-(trifluoromethyl)phenyl]anilino]pyrido[2,3-d]pyrimidin-2-one
CID 154366196
1-hydroxy-4-(3-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-2-one
CID 67252249
2-[4-[3-[(1-hydroxy-2-oxopyrido[2,3-d]pyrimidin-4-yl)amino]phenyl]triazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 134815319
4-[3-[[(1-hydroxy-2-oxopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-N-phenylbenzamide
CID 67253188
3-[3-[[(1-hydroxy-2-oxopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]benzonitrile
CID 123877756
8-hydroxy-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 18737197

Frequently Asked Questions

What is the IUPAC name of 4-[4-(furan-2-yl)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 4-[4-(furan-2-yl)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one (CID 91664428) is 4-[4-(furan-2-yl)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 4-[4-(furan-2-yl)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 4-[4-(furan-2-yl)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one is O=c1nc(Nc2ccc(-c3ccco3)cc2)c2cccnc2n1O.
What is the InChIKey of 4-[4-(furan-2-yl)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one?
The InChIKey is WAWJLZSDOMKHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O3/c22-17-20-15(13-3-1-9-18-16(13)21(17)23)19-12-7-5-11(6-8-12)14-4-2-10-24-14/h1-10,23H,(H,19,20,22).
What are the key properties of 4-[4-(furan-2-yl)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one?
4-[4-(furan-2-yl)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one has a molecular weight of 320.31 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(furan-2-yl)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 91664428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).